OZIP Sample Run: Durham, NC
no2 phot is rxn: 1
durham, nc base case simulation 6/8/88
photolytic rate constants calculated for
durham, nc
latitude 36.000
longitude 79.000
time zone 4
date 7 24 1996
time 800 to 2000 local daylight time
dilution determined from the following
inversion heights initial 250. final 2846.
timing start 800. stop 1500.
mixing heights (at the beginning of each hour)
hour 800 900 1000 1100 1200 1300 1400 1500
height 250.0 608.5 1147.4 1709.2 2150.1 2458.1 2678.3 2846.0
temperature (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
temp 294.0 297.0 300.0 303.0 304.0 305.0 306.0 306.0 307.0
307.0 306.0 304.0
pressure 0.97 atmosphere
water concentrations (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
ppm 16841. 17753. 17944. 17493. 17166. 16737. 15707. 15707. 16057.
16057. 18652. 19807.
relative humidity (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
rh (%) 68.0 60.0 51.0 42.0 39.0 36.0 32.0 32.0 31.0
31.0 38.0 45.0
voc reactivity fractions
initial transport
voc emitted aloft surface
par 0.564 0.498 0.498
eth 0.037 0.034 0.034
ole 0.035 0.020 0.020
tol 0.089 0.042 0.042
xyl 0.117 0.026 0.026
form 0.021 0.070 0.070
ald2 0.052 0.037 0.037
dien 0.000 0.000 0.000
nr 0.085 0.273 0.273
no2/nox ratios:
initial emitted surface mix = 0.25
transported surface mixture = 1.00
transported aloft mixture = 1.00
hourly emissions = 0.05
transported concentrations
surface o3 = 0.000 voc = 0.000 nox = 0.000 co = 0.000 ppm
aloft voc = 0.030 nox = 0.002 co = 0.500 ppm
height o3 aloft
100. 0.0555
emissions fractions
(ratioed to initial concentrations for initial mixing height and 298.15 k)
hour 1 2 3 4 5 6 7 8 9 10
species m.w.
voc 14.50 0.050 0.049 0.047 0.047 0.048 0.048 0.048 0.049 0.051 0.053
nox 46.00 0.068 0.060 0.054 0.054 0.056 0.055 0.055 0.057 0.063 0.066
isop 68.13 3.876 5.88613.35021.10222.96824.26023.68622.53719.95314.786
apin 136.24 0.718 0.933 1.149 1.436 1.507 1.579 1.651 1.651 1.651 1.579
unkn 136.24 2.010 2.584 3.374 4.307 4.522 4.666 4.738 4.666 4.594 4.379
co 28.00 0.020 0.018 0.017 0.017 0.018 0.017 0.017 0.018 0.019 0.000
mass emissions
(kg/km**2 at 298.15 k)
hour 1 2 3 4 5 6 7 8 9 10
species
voc 5.0 4.9 4.7 4.7 4.7 4.7 4.7 4.8 5.0 5.3
nox 2.1 1.9 1.7 1.7 1.8 1.7 1.7 1.8 2.0 2.1
isop 0.3 0.4 0.9 1.5 1.6 1.7 1.7 1.6 1.4 1.0
apin 0.1 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2
unkn 0.3 0.4 0.5 0.6 0.6 0.6 0.7 0.6 0.6 0.6
co 9.7 8.8 8.2 8.2 8.5 8.4 8.4 8.8 9.1 0.0
surface deposition rates (cm/sec)
species hour 1 2 3 4 5 6 7 8 9 10
11 12 13 14
no2 rate 0.480 0.540 0.600 0.600 0.600 0.600 0.600 0.600 0.540 0.480
0.360 0.240 0.000 0.000
o3 rate 0.600 0.700 0.800 0.800 0.800 0.800 0.800 0.800 0.700 0.600
0.500 0.300 0.000 0.000
hno3 rate 3.000 3.300 3.500 3.500 3.500 3.500 3.500 3.500 3.300 3.200
3.000 2.600 0.000 0.000
h2o2 rate 1.800 1.900 2.000 2.000 2.000 2.000 2.000 2.000 1.900 1.800
1.700 1.600 0.000 0.000
pan rate 0.480 0.540 0.600 0.600 0.600 0.600 0.600 0.600 0.540 0.480
0.360 0.240 0.000 0.000
ekma calculations are performed to estimate
site-specific voc control requirements
base year
ozone 0.158 ppm
voc/nox 11.100
co from emissions (6 to 9 a.m.) 1.700 ppm
future year
anticipated change in nox 0.000 percent
anticipated change in co -20.000 percent
co from emissions (6 to 9 a.m.) 1.360 ppm
voc transported aloft 0.024 ppmc
nox transported aloft 0.002 ppm
co transported aloft 0.500 ppm
height o3 aloft
100. 0.0527
ozone in the surface layer 0.000 ppm
voc in the surface layer 0.000 ppmc
nox in the surface layer 0.000 ppm
co in the surface layer 0.000 ppm
the following ekma simulations were done.
voc nox o3 time
1.00000 0.09009 0.14222 1847.
1.11097 0.10009 0.14838 1848.
1.28436 0.11571 0.15783 1849.
0.64218 0.11571 0.13290 1855.
0.57985 0.11571 0.12936 1856.
0.41477 0.11571 0.11755 1900.
0.44897 0.11571 0.12039 1859.
0.44428 0.11571 0.12002 1900.
voc control requirement is 65.4 percent
single trajectory calculation
initial levels of species subject to control:
voc = 0.6700 ppm
nox = 0.0670 ppm
co = 1.7000 ppm
the chemical mechanism file is:
durham, nc base case simulation 6/8/88
photolytic rate constants calculated for
durham, nc
latitude 36.000
longitude 79.000
time zone 4
date 7 24 1996
time 800 to 2000 local daylight time
dilution determined from the following
inversion heights initial 250. final 2846.
timing start 800. stop 1500.
mixing heights (at the beginning of each hour)
hour 800 900 1000 1100 1200 1300 1400 1500
height 250.0 608.5 1147.4 1709.2 2150.1 2458.1 2678.3 2846.0
temperature (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
temp 294.0 297.0 300.0 303.0 304.0 305.0 306.0 306.0 307.0
307.0 306.0 304.0
pressure 0.97 atmosphere
water concentrations (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
ppm 16841. 17753. 17944. 17493. 17166. 16737. 15707. 15707. 16057.
16057. 18652. 19807.
relative humidity (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
rh (%) 68.0 60.0 51.0 42.0 39.0 36.0 32.0 32.0 31.0
31.0 38.0 45.0
voc reactivity fractions
initial transport
voc emitted aloft surface
par 0.564 0.498 0.498
eth 0.037 0.034 0.034
ole 0.035 0.020 0.020
tol 0.089 0.042 0.042
xyl 0.117 0.026 0.026
form 0.021 0.070 0.070
ald2 0.052 0.037 0.037
dien 0.000 0.000 0.000
nr 0.085 0.273 0.273
no2/nox ratios:
initial emitted surface mix = 0.25
transported surface mixture = 1.00
transported aloft mixture = 1.00
hourly emissions = 0.05
transported concentrations
surface o3 = 0.000 voc = 0.000 nox = 0.000 co = 0.000 ppm
aloft voc = 0.030 nox = 0.002 co = 0.500 ppm
height o3 aloft
100. 0.0555
emissions fractions
(ratioed to initial concentrations for initial mixing height and 298.15 k)
hour 1 2 3 4 5 6 7 8 9 10
species m.w.
voc 14.50 0.050 0.049 0.047 0.047 0.048 0.048 0.048 0.049 0.051 0.053
nox 46.00 0.068 0.060 0.054 0.054 0.056 0.055 0.055 0.057 0.063 0.066
isop 68.13 3.876 5.88613.35021.10222.96824.26023.68622.53719.95314.786
apin 136.24 0.718 0.933 1.149 1.436 1.507 1.579 1.651 1.651 1.651 1.579
unkn 136.24 2.010 2.584 3.374 4.307 4.522 4.666 4.738 4.666 4.594 4.379
co 28.00 0.020 0.018 0.017 0.017 0.018 0.017 0.017 0.018 0.019 0.000
mass emissions
(kg/km**2 at 298.15 k)
hour 1 2 3 4 5 6 7 8 9 10
species
voc 5.0 4.9 4.7 4.7 4.7 4.7 4.7 4.8 5.0 5.3
nox 2.1 1.9 1.7 1.7 1.8 1.7 1.7 1.8 2.0 2.1
isop 0.3 0.4 0.9 1.5 1.6 1.7 1.7 1.6 1.4 1.0
apin 0.1 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2
unkn 0.3 0.4 0.5 0.6 0.6 0.6 0.7 0.6 0.6 0.6
co 9.7 8.8 8.2 8.2 8.5 8.4 8.4 8.8 9.1 0.0
surface deposition rates (cm/sec)
species hour 1 2 3 4 5 6 7 8 9 10
11 12 13 14
no2 rate 0.480 0.540 0.600 0.600 0.600 0.600 0.600 0.600 0.540 0.480
0.360 0.240 0.000 0.000
o3 rate 0.600 0.700 0.800 0.800 0.800 0.800 0.800 0.800 0.700 0.600
0.500 0.300 0.000 0.000
hno3 rate 3.000 3.300 3.500 3.500 3.500 3.500 3.500 3.500 3.300 3.200
3.000 2.600 0.000 0.000
h2o2 rate 1.800 1.900 2.000 2.000 2.000 2.000 2.000 2.000 1.900 1.800
1.700 1.600 0.000 0.000
pan rate 0.480 0.540 0.600 0.600 0.600 0.600 0.600 0.600 0.540 0.480
0.360 0.240 0.000 0.000
reference photolysis rates
temperature is: 298.15 k
pressure is: 1.00 atm.
rxn name zenith angle (deg.)
no. 0 10 20 30 40
50 60 70 78 86
1 no2 5.89E-01 5.86E-01 5.72E-01 5.45E-01 5.03E-01
4.39E-01 3.38E-01 1.91E-01 6.99E-02 3.50E-03
8 o3 3.32E-02 3.32E-02 3.28E-02 3.20E-02 3.07E-02
2.88E-02 2.56E-02 1.97E-02 1.29E-02 6.68E-03
9 o3 2.33E-03 2.26E-03 2.02E-03 1.64E-03 1.18E-03
6.95E-04 2.89E-04 5.82E-05 5.30E-06 1.00E-07
14 no3 1.22E+01 1.22E+01 1.21E+01 1.19E+01 1.15E+01
1.10E+01 9.91E+00 7.62E+00 4.84E+00 2.08E+00
23 hono 1.01E-01 1.00E-01 9.78E-02 9.32E-02 8.60E-02
7.50E-02 5.78E-02 3.26E-02 1.20E-02 5.99E-04
34 h2o2 4.74E-04 4.68E-04 4.45E-04 4.04E-04 3.46E-04
2.69E-04 1.74E-04 7.33E-05 1.82E-05 5.00E-07
38 form 2.08E-03 2.05E-03 1.94E-03 1.75E-03 1.47E-03
1.11E-03 6.82E-04 2.61E-04 5.64E-05 1.40E-06
39 form 2.94E-03 2.91E-03 2.79E-03 2.59E-03 2.28E-03
1.85E-03 1.27E-03 5.74E-04 1.53E-04 4.40E-06
45 ald2 3.64E-04 3.57E-04 3.30E-04 2.86E-04 2.27E-04
1.57E-04 8.44E-05 2.64E-05 4.50E-06 1.00E-07
69 open 9.83E-03 9.81E-03 9.65E-03 9.32E-03 8.82E-03
8.02E-03 6.67E-03 4.38E-03 2.10E-03 2.83E-04
74 mgly 1.05E-02 1.05E-02 1.03E-02 9.94E-03 9.40E-03
8.55E-03 7.11E-03 4.66E-03 2.24E-03 3.02E-04
85 no3 1.53E+00 1.54E+00 1.53E+00 1.50E+00 1.47E+00
1.41E+00 1.29E+00 1.02E+00 6.83E-01 3.49E-01
the initial temperature is: 304.0 degrees kelvin
the pressure is: 1.0 atmospheres
the initial mixing height is: 250.0
the error tolerance is: 3.0E-03
instant concentrations (ppm)
time voc no no2 o3
(ldt) total total
800. 0.67000 0.05025 0.01675 0.00000
900. 0.30558 0.01057 0.01884 0.02361
1000. 0.17960 0.00451 0.01153 0.04155
1100. 0.12909 0.00232 0.00753 0.05508
1200. 0.10380 0.00101 0.00455 0.07232
1300. 0.08815 0.00034 0.00226 0.09133
1400. 0.07952 0.00018 0.00148 0.10334
1500. 0.07441 0.00014 0.00122 0.11043
1600. 0.07347 0.00012 0.00114 0.11735
1700. 0.07378 0.00011 0.00118 0.12226
1800. 0.07536 0.00009 0.00128 0.12503
1900. 0.07443 0.00004 0.00119 0.12550
2000. 0.07424 0.00000 0.00118 0.12491
2100. 0.07417 0.00000 0.00107 0.12460
maximum average concentrations
maximum 1 hour ave o3 = 0.125488 ppm centered at 1845. ldt
multiple calculations performed for isopleth diagram
all calculations use initial co = 1.700 ppm
the chemical mechanism file is:
durham, nc base case simulation 6/8/88
photolytic rate constants calculated for
durham, nc
latitude 36.000
longitude 79.000
time zone 4
date 7 24 1996
time 800 to 2000 local daylight time
dilution determined from the following
inversion heights initial 250. final 2846.
timing start 800. stop 1500.
mixing heights (at the beginning of each hour)
hour 800 900 1000 1100 1200 1300 1400 1500
height 250.0 608.5 1147.4 1709.2 2150.1 2458.1 2678.3 2846.0
temperature (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
temp 294.0 297.0 300.0 303.0 304.0 305.0 306.0 306.0 307.0
307.0 306.0 304.0
pressure 0.97 atmosphere
water concentrations (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
ppm 16841. 17753. 17944. 17493. 17166. 16737. 15707. 15707. 16057.
16057. 18652. 19807.
relative humidity (at the beginning of each hour)
hour 0 1 2 3 4 5 6 7 8
9 10 11
rh (%) 68.0 60.0 51.0 42.0 39.0 36.0 32.0 32.0 31.0
31.0 38.0 45.0
voc reactivity fractions
initial transport
voc emitted aloft surface
par 0.564 0.498 0.498
eth 0.037 0.034 0.034
ole 0.035 0.020 0.020
tol 0.089 0.042 0.042
xyl 0.117 0.026 0.026
form 0.021 0.070 0.070
ald2 0.052 0.037 0.037
dien 0.000 0.000 0.000
nr 0.085 0.273 0.273
no2/nox ratios:
initial emitted surface mix = 0.25
transported surface mixture = 1.00
transported aloft mixture = 1.00
hourly emissions = 0.05
transported concentrations
surface o3 = 0.000 voc = 0.000 nox = 0.000 co = 0.000 ppm
aloft voc = 0.030 nox = 0.002 co = 0.500 ppm
height o3 aloft
100. 0.0555
emissions fractions
(ratioed to initial concentrations for initial mixing height and 298.15 k)
hour 1 2 3 4 5 6 7 8 9 10
species m.w.
voc 14.50 0.050 0.049 0.047 0.047 0.048 0.048 0.048 0.049 0.051 0.053
nox 46.00 0.068 0.060 0.054 0.054 0.056 0.055 0.055 0.057 0.063 0.066
isop 68.13 3.876 5.88613.35021.10222.96824.26023.68622.53719.95314.786
apin 136.24 0.718 0.933 1.149 1.436 1.507 1.579 1.651 1.651 1.651 1.579
unkn 136.24 2.010 2.584 3.374 4.307 4.522 4.666 4.738 4.666 4.594 4.379
co 28.00 0.020 0.018 0.017 0.017 0.018 0.017 0.017 0.018 0.019 0.000
mass emissions
(kg/km**2 at 298.15 k)
hour 1 2 3 4 5 6 7 8 9 10
species
voc 5.0 4.9 4.7 4.7 4.7 4.7 4.7 4.8 5.0 5.3
nox 2.1 1.9 1.7 1.7 1.8 1.7 1.7 1.8 2.0 2.1
isop 0.3 0.4 0.9 1.5 1.6 1.7 1.7 1.6 1.4 1.0
apin 0.1 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2
unkn 0.3 0.4 0.5 0.6 0.6 0.6 0.7 0.6 0.6 0.6
co 9.7 8.8 8.2 8.2 8.5 8.4 8.4 8.8 9.1 0.0
surface deposition rates (cm/sec)
species hour 1 2 3 4 5 6 7 8 9 10
11 12 13 14
no2 rate 0.480 0.540 0.600 0.600 0.600 0.600 0.600 0.600 0.540 0.480
0.360 0.240 0.000 0.000
o3 rate 0.600 0.700 0.800 0.800 0.800 0.800 0.800 0.800 0.700 0.600
0.500 0.300 0.000 0.000
hno3 rate 3.000 3.300 3.500 3.500 3.500 3.500 3.500 3.500 3.300 3.200
3.000 2.600 0.000 0.000
h2o2 rate 1.800 1.900 2.000 2.000 2.000 2.000 2.000 2.000 1.900 1.800
1.700 1.600 0.000 0.000
pan rate 0.480 0.540 0.600 0.600 0.600 0.600 0.600 0.600 0.540 0.480
0.360 0.240 0.000 0.000
0.00000 0.00000 0.00000 7.079E-02
0.00000 0.01800 0.00000 8.485E-02
0.00000 0.03600 0.00000 9.305E-02
0.00000 0.05400 0.00000 9.762E-02
0.00000 0.07200 0.00000 9.833E-02
0.00000 0.09000 0.00000 9.320E-02
0.00000 0.10800 0.00000 8.077E-02
0.00000 0.12600 0.00000 6.957E-02
0.00000 0.14400 0.00000 6.157E-02
0.00000 0.16200 0.00000 5.587E-02
0.00000 0.18000 0.00000 5.148E-02
0.18000 0.00000 0.00000 7.082E-02
0.18000 0.01800 10.00000 8.867E-02
0.18000 0.03600 5.00000 9.913E-02
0.18000 0.05400 3.33333 1.058E-01
0.18000 0.07200 2.50000 1.095E-01
0.18000 0.09000 2.00000 1.097E-01
0.18000 0.10800 1.66667 1.046E-01
0.18000 0.12600 1.42857 9.229E-02
0.18000 0.14400 1.25000 7.971E-02
0.18000 0.16200 1.11111 7.039E-02
0.18000 0.18000 1.00000 6.310E-02
0.36000 0.00000 0.00000 6.984E-02
0.36000 0.01800 20.00000 9.074E-02
0.36000 0.03600 10.00000 1.034E-01
0.36000 0.05400 6.66667 1.121E-01
0.36000 0.07200 5.00000 1.177E-01
0.36000 0.09000 4.00000 1.208E-01
0.36000 0.10800 3.33333 1.205E-01
0.36000 0.12600 2.85714 1.155E-01
0.36000 0.14400 2.50000 1.035E-01
0.36000 0.16200 2.22222 9.031E-02
0.36000 0.18000 2.00000 7.967E-02
0.54000 0.00000 0.00000 6.870E-02
0.54000 0.01800 30.00000 9.158E-02
0.54000 0.03600 15.00000 1.063E-01
0.54000 0.05400 10.00000 1.166E-01
0.54000 0.07200 7.50000 1.239E-01
0.54000 0.09000 6.00000 1.290E-01
0.54000 0.10800 5.00000 1.314E-01
0.54000 0.12600 4.28571 1.310E-01
0.54000 0.14400 3.75000 1.260E-01
0.54000 0.16200 3.33333 1.147E-01
0.54000 0.18000 3.00000 1.011E-01
0.72000 0.00000 0.00000 6.776E-02
0.72000 0.01800 40.00000 9.149E-02
0.72000 0.03600 20.00000 1.080E-01
0.72000 0.05400 13.33333 1.198E-01
0.72000 0.07200 10.00000 1.287E-01
0.72000 0.09000 8.00000 1.352E-01
0.72000 0.10800 6.66667 1.396E-01
0.72000 0.12600 5.71429 1.417E-01
0.72000 0.14400 5.00000 1.410E-01
0.72000 0.16200 4.44444 1.362E-01
0.72000 0.18000 4.00000 1.257E-01
0.90000 0.00000 0.00000 6.692E-02
0.90000 0.01800 50.00000 9.095E-02
0.90000 0.03600 25.00000 1.087E-01
0.90000 0.05400 16.66666 1.221E-01
0.90000 0.07200 12.50000 1.322E-01
0.90000 0.09000 10.00000 1.399E-01
0.90000 0.10800 8.33333 1.458E-01
0.90000 0.12600 7.14286 1.496E-01
0.90000 0.14400 6.25000 1.515E-01
0.90000 0.16200 5.55555 1.506E-01
0.90000 0.18000 5.00000 1.461E-01
1.08000 0.00000 0.00000 6.642E-02
1.08000 0.01800 60.00000 9.004E-02
1.08000 0.03600 30.00000 1.089E-01
1.08000 0.05400 20.00000 1.233E-01
1.08000 0.07200 15.00000 1.346E-01
1.08000 0.09000 12.00000 1.436E-01
1.08000 0.10800 10.00000 1.507E-01
1.08000 0.12600 8.57143 1.559E-01
1.08000 0.14400 7.50000 1.594E-01
1.08000 0.16200 6.66667 1.609E-01
1.08000 0.18000 6.00000 1.601E-01
1.26000 0.00000 0.00000 6.580E-02
1.26000 0.01800 69.99999 8.929E-02
1.26000 0.03600 35.00000 1.085E-01
1.26000 0.05400 23.33333 1.240E-01
1.26000 0.07200 17.50000 1.361E-01
1.26000 0.09000 14.00000 1.463E-01
1.26000 0.10800 11.66667 1.544E-01
1.26000 0.12600 10.00000 1.607E-01
1.26000 0.14400 8.75000 1.655E-01
1.26000 0.16200 7.77778 1.687E-01
1.26000 0.18000 7.00000 1.701E-01
1.44000 0.00000 0.00000 6.538E-02
1.44000 0.01800 79.99999 8.843E-02
1.44000 0.03600 40.00000 1.080E-01
1.44000 0.05400 26.66666 1.241E-01
1.44000 0.07200 20.00000 1.373E-01
1.44000 0.09000 16.00000 1.482E-01
1.44000 0.10800 13.33333 1.572E-01
1.44000 0.12600 11.42857 1.646E-01
1.44000 0.14400 10.00000 1.704E-01
1.44000 0.16200 8.88889 1.748E-01
1.44000 0.18000 8.00000 1.778E-01
1.62000 0.00000 0.00000 6.510E-02
1.62000 0.01800 89.99999 8.761E-02
1.62000 0.03600 45.00000 1.072E-01
1.62000 0.05400 30.00000 1.237E-01
1.62000 0.07200 22.50000 1.376E-01
1.62000 0.09000 18.00000 1.494E-01
1.62000 0.10800 15.00000 1.593E-01
1.62000 0.12600 12.85714 1.675E-01
1.62000 0.14400 11.25000 1.743E-01
1.62000 0.16200 10.00000 1.798E-01
1.62000 0.18000 9.00000 1.839E-01
1.80000 0.00000 0.00000 6.476E-02
1.80000 0.01800 99.99999 8.684E-02
1.80000 0.03600 50.00000 1.065E-01
1.80000 0.05400 33.33333 1.233E-01
1.80000 0.07200 25.00000 1.378E-01
1.80000 0.09000 20.00000 1.501E-01
1.80000 0.10800 16.66666 1.607E-01
1.80000 0.12600 14.28571 1.695E-01
1.80000 0.14400 12.50000 1.773E-01
1.80000 0.16200 11.11111 1.834E-01
1.80000 0.18000 10.00000 1.885E-01
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The Shodor
Education Foundation, Inc.
Copyright © 1997